tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate

tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate

CAS: 1439823-01-4

Formula: C14H19Cl2N3O2

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C1=CC(Cl)=NC(Cl)=N1

IUPAC: tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate

InChI: InChI=1S/C14H19Cl2N3O2/c1-14(2,3)21-13(20)19-6-4-9(5-7-19)10-8-11(15)18-12(16)17-10/h8-9H,4-7H2,1-3H3

Composition: C (50.61%), H (5.76%), Cl (21.34%), N (12.65%), O (9.63%)

Molar Mass: 332.23

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.0854323
Formal Charge	0
FSP3	0.64
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SMWIHIPPDLQJIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.11
Topological Polar Surface Area	55.32
Polarizability	32.16
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1439823-01-4		$111.78-$2,510.91$111.78$132.48$254.61$983.25$2,510.91

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	1439823-01-4		$377.20-$1,117.80$377.20$562.35$1,117.80

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1439823-01-4		$413.61-$1,262.26$413.61$634.28$1,262.26